Vitas-M small molecule compound
4-{(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK070918
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H19ClN4O5S MW 546.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O5S/c1-35-22-14-16(7-12-21(22)37-26(34)17-8-10-18(28)11-9-17)13-20-24(29)32-27(30-25(20)33)38-23(31-32)15-36-19-5-3-2-4-6-19/h2-14,29H,15H2,1H3/b20-13-,29-24-InChIKey
ILRQYOFGWPBWNR-AWNUFMCDSA-NSynonyms
4((Z)(5imino7oxo2(phenoxymethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4chlorobenzoate
COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD02951010
STK070918
ZINC000008493957
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